aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD13661 | 1.78 | 362.47 | C21H30O5 | CC12CCC(=O)C=C1CCC1C2C(O)CC2(C)C1CCC2(O)C(=O)CO |
|
AD13662 | 0.27 | 215.27 | C9H13O3NS | Cc1ccc(S(=O)(=O)NCCO)cc1 |
|
AD13663 | 3.12 | 175.26 | C10H9NS | Cc1ccc(-c2nccs2)cc1 |
|
AD13664 | 2.1 | 366.4 | C15H31O6N2P | COP(=O)(NC(C)C(=O)OCC(C)C)NC(C)C(=O)OCC(C)C |
|
AD13665 | 1.94 | 186.24 | C7H10O2N2S | COC(=O)Nc1nc(C)c(C)s1 |
|
AD13666 | 0.19 | 286.07 | C2H9O8P3S | COP(=O)(O)CP(=O)(O)OP(O)(O)=S |
|
AD13667 | 3.34 | 290.24 | C15H9ON2F3 | N#Cc1ccc(-c2cc(C(N)=O)cc(C(F)(F)F)c2)cc1 |
|
AD13668 | 1.25 | 205.67 | C8H8O2NClS | CNS(=O)(=O)c1cccc(Cl)c1 |
|
AD13669 | 14.35 | 1087.96 | C47H21N5F16S4 | CN1CC2c3nc(c(-c4c(F)c(F)c(S)c(F)c4F)c4ccc([nH]4)c(-c4c(F)c(F)c(S)c(F)c4F)c4nc(c(-c5c(F)c(F)c(S)c(F)c5F)c5ccc([nH]5)c3-c3c(F)c(F)c(S)c(F)c3F)C=C4)C2C1 |
|
AD13670 | 5.42 | 530.75 | C32H50O6 | CC(=O)OCC1(C)C(O)CCC2(C)C1CCC1(C)C2CC(O)C23OC(=O)C4(CCC(C)(C)CC42)CCC13C |